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Details

Stereochemistry ABSOLUTE
Molecular Formula C50H98N2O9
Molecular Weight 871.3211
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABX-196

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

InChI

InChIKey=VITDDUXZOHEQMU-BYSUZVQFSA-N
InChI=1S/C50H98N2O9/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(55)52-42(40-60-50-49(59)48(58)47(57)44(61-50)39-51-41(3)53)46(56)43(54)37-35-33-31-29-27-17-15-13-11-9-7-5-2/h42-44,46-50,54,56-59H,4-40H2,1-3H3,(H,51,53)(H,52,55)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1

HIDE SMILES / InChI

Molecular Formula C50H98N2O9
Molecular Weight 871.3211
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:31:04 GMT 2023
Edited
by admin
on Sat Dec 16 14:31:04 GMT 2023
Record UNII
SOI87F7GN2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABX-196
Code English
N-((1S,2S,3R)-1-(((6-(ACETYLAMINO)-6-DEOXY-.ALPHA.-D-GALACTOPYRANOSYL)OXY)METHYL)-2,3-DIHYDROXYHEPTADECYL)TETRACOSANAMIDE
Systematic Name English
ABX 196 [WHO-DD]
Common Name English
PBS96
Code English
ABX196
Code English
TETRACOSANAMIDE, N-((1S,2S,3R)-1-(((6-(ACETYLAMINO)-6-DEOXY-.ALPHA.-D-GALACTOPYRANOSYL)OXY)METHYL)-2,3-DIHYDROXYHEPTADECYL)-
Systematic Name English
Code System Code Type Description
CAS
1161877-58-2
Created by admin on Sat Dec 16 14:31:04 GMT 2023 , Edited by admin on Sat Dec 16 14:31:04 GMT 2023
PRIMARY
NCI_THESAURUS
C172187
Created by admin on Sat Dec 16 14:31:04 GMT 2023 , Edited by admin on Sat Dec 16 14:31:04 GMT 2023
PRIMARY
FDA UNII
SOI87F7GN2
Created by admin on Sat Dec 16 14:31:04 GMT 2023 , Edited by admin on Sat Dec 16 14:31:04 GMT 2023
PRIMARY
PUBCHEM
42630569
Created by admin on Sat Dec 16 14:31:04 GMT 2023 , Edited by admin on Sat Dec 16 14:31:04 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY